4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine

C14H11N5S2 — CID 1487461

IUPAC4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(Nc3ccccc3)n2)sc2ncnn12
InChIInChI=1S/C14H11N5S2/c1-9-12(21-14-15-8-16-19(9)14)11-7-20-13(18-11)17-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)
InChIKeyHGHOATCIRMWENE-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.97
Rot. Bonds3

About 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine

4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 1487461) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID1487461
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC Name4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(Nc3ccccc3)n2)sc2ncnn12
InChIInChI=1S/C14H11N5S2/c1-9-12(21-14-15-8-16-19(9)14)11-7-20-13(18-11)17-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)
InChIKeyHGHOATCIRMWENE-UHFFFAOYSA-N
XLogP3.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine (CID 1487461) is 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine is Cc1c(-c2csc(Nc3ccccc3)n2)sc2ncnn12.
What is the InChIKey of 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is HGHOATCIRMWENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c1-9-12(21-14-15-8-16-19(9)14)11-7-20-13(18-11)17-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine?
4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 313.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1487461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).